ISSN:
1612-1112
Keywords:
Column liquid chromatography
;
Quantitative structure retention relationships
;
Quantitative structure properties relationships
;
Phospholipids
;
Molecular probe
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary The results of this study show that an optimized RP-HPLC system, in conjunction with molecular mechanics, can be used as a molecular probe to study both configuration and conformation of molecular species of selected phospholipid classes. Specifically, for phosphatidylcholine 18∶0/16∶0, stearic acid is attached to thesn-1 position and palmitic acid is attached to thesn-2 position of the glycerol backbone, for phosphatidylcholine with two monounsaturated fatty acids, the monounsaturated fatty acid attached to thesn-1 position can fold itself backwards on itself, thus allowing van der Waals interaction. Furthermore, it was found in the retention modelling that configurational descriptors alone did not suffice but had to be augmented with conformational descriptors. Nonlinearities were also detected, which could be handled by using a hybrid neural network-PLS regression strategy.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02467447
